


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.32730
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06410
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14530
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.27070
 H       1.10711  1    117.15227  1    136.03525  1     3   2   1    0.09850
 C       1.54303  1    107.86164  1     80.50902  1     2   3   4   -0.20960
 C       1.51209  1    112.35509  1     50.67949  1     6   2   3    0.29500
 O       1.25576  1    122.20856  1     59.38977  1     7   6   2   -0.43510
 N       1.36858  1    118.09904  1    236.40498  1     7   6   2   -0.42560
 H       0.99131  1    120.06308  1    175.01120  1     9   7   6    0.22110
 H       0.99432  1    120.83968  1      7.99929  1     9   7   6    0.24460
 H       1.12457  1    109.23025  1    168.90408  1     6   2   3    0.12320
 H       1.12602  1    108.72998  1    286.36267  1     6   2   3    0.13600
 H       1.13199  1    108.00619  1    196.71596  1     2   3   4    0.10390
 H       1.00527  1    110.34679  1    130.79765  1     1   2   3    0.16670
 H       1.00938  1    110.30246  1     13.59188  1     1   2   3    0.18740
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32690
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04490
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31990
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44330
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36740
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04530
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19900
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32360
 H       1.11184  1    118.64534  1    342.95159  1    23  22  21    0.10020
 C       1.54123  1    112.61913  1    166.98655  1    22  21  19   -0.07850
 C       1.46649  1    111.63097  1    270.28627  1    26  22  21   -0.17620
 C       1.39810  1    127.17440  1     76.21165  1    27  26  22   -0.04420
 N       1.39636  1    109.84486  1    177.74856  1    28  27  26   -0.21110
 C       1.39765  1    108.54118  1    359.92109  1    29  28  27   -0.01490
 C       1.44776  1    108.05320  1      1.03494  1    30  29  28   -0.07340
 C       1.39608  1    119.41548  1    178.48960  1    31  30  29   -0.08560
 C       1.38730  1    118.95490  1      0.79595  1    32  31  30   -0.17180
 C       1.40656  1    121.34830  1      0.22987  1    33  32  31   -0.14040
 C       1.38566  1    121.61334  1    359.37094  1    34  33  32   -0.13210
 H       1.09973  1    121.49783  1    178.68495  1    35  34  33    0.14980
 H       1.09959  1    119.08049  1    179.73379  1    34  33  32    0.11600
 H       1.09902  1    119.71192  1    180.37200  1    33  32  31    0.10770
 H       1.09951  1    119.91918  1    181.22492  1    32  31  30    0.13360
 H       0.98712  1    126.39500  1    182.38054  1    29  28  27    0.25680
 H       1.10175  1    128.42748  1    356.19736  1    28  27  26    0.21490
 H       1.12465  1    110.63959  1     32.77041  1    26  22  21    0.09900
 H       1.12494  1    108.03630  1    150.32432  1    26  22  21    0.09210
 H       1.13641  1    107.41272  1     47.72049  1    22  21  19    0.14360
 H       0.99839  1    124.85366  1    358.06139  1    21  19  18    0.28340
 C       1.52674  1    112.44611  1    341.62113  1    18  17   3   -0.22380
 C       1.52793  1    111.64672  1    185.74682  1    46  18  17    0.31880
 O       1.26120  1    122.05086  1     58.50407  1    47  46  18   -0.54450
 C       2.66988  0    102.02126  1    163.44206  1    48  47  46   -0.07240
Cl       1.80640  1    162.15418  1    113.54126  1    49  48  47   -0.28200
 H       1.11513  1     60.41807  1    155.48040  1    49  48  47    0.13310
 H       1.11876  1     72.66275  1     28.38020  1    49  48  47    0.16000
 C       1.50385  1     85.03432  1    274.19985  1    49  48  47   -0.16850
 H       1.12244  1    110.71825  1    142.69173  1    53  49  48    0.06420
 C       1.51342  1    112.45880  1    267.24950  1    53  49  48   -0.17070
 H       1.12289  1    108.65805  1     69.67403  1    55  53  49    0.10940
 H       1.12409  1    109.75296  1    312.71728  1    55  53  49    0.05400
 C       1.50668  1    111.72241  1    190.73313  1    55  53  49   -0.22610
 H       1.11769  1    110.31287  1    297.40697  1    58  55  53    0.10770
 H       1.11708  1    110.44073  1    177.59067  1    58  55  53    0.07600
 H       1.11933  1    111.15711  1     57.05288  1    58  55  53    0.04680
 H       1.13003  1    106.22562  1     26.59635  1    53  49  48    0.16040
 O       1.28242  1    117.03911  1    239.43396  1    47  46  18   -0.66210
 H       1.12142  1    108.28651  1    304.37818  1    46  18  17    0.11530
 H       1.11957  1    111.61774  1     62.97426  1    46  18  17    0.09410
 H       1.14418  1    109.44834  1    225.61240  1    18  17   3    0.09460
 H       1.00213  1    155.08842  1    318.18364  1    17   3   2    0.13690
 H       1.00360  1     88.76249  1    182.34578  1    17   3   2    0.16010
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32830
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12800
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19750
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30010
 H       1.11325  1    115.13329  1     64.68200  1    71  70  69    0.09160
 C       1.53526  1    113.27846  1    299.47639  1    70  69   3   -0.16810
 C       1.51197  1    111.44966  1    282.54199  1    74  70  69   -0.21130
 C       1.52034  1    109.78689  1    282.82952  1    75  74  70    0.31810
 O       1.27886  1    117.96610  1    274.74740  1    76  75  74   -0.63240
 O       1.26343  1    121.63837  1     93.36147  1    76  75  74   -0.56790
 H       1.11810  1    111.31970  1     44.57421  1    75  74  70    0.06240
 H       1.12259  1    108.74508  1    164.01166  1    75  74  70    0.10240
 H       1.12138  1    110.40127  1     45.22028  1    74  70  69    0.08260
 H       1.12172  1    108.76504  1    161.57660  1    74  70  69    0.10980
 H       1.13580  1    107.98284  1    180.30493  1    70  69   3    0.15150
 H       1.00243  1    132.69167  1    180.06064  1    69   3   2    0.14630
 H       1.00271  1     63.64748  1     89.05556  1    69   3   2    0.13040
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33740
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09360
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20240
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30290
 H       1.11134  1    115.30010  1     88.26977  1    88  87  86    0.08130
 C       1.54123  1    117.00951  1     32.76872  1    87  86   3   -0.12830
 C       1.52050  1    111.27062  1    311.53578  1    91  87  86   -0.16560
 C       1.50737  1    112.56417  1    184.01793  1    92  91  87   -0.20660
 H       1.11799  1    111.01090  1     69.46922  1    93  92  91    0.05370
 H       1.11836  1    109.86410  1    189.19227  1    93  92  91    0.09530
 H       1.11681  1    110.73584  1    308.94920  1    93  92  91    0.07250
 H       1.12250  1    109.69225  1    305.95620  1    92  91  87    0.08330
 H       1.12498  1    109.43559  1     63.67321  1    92  91  87    0.10260
 C       1.51460  1    108.95265  1    188.02230  1    91  87  86   -0.20330
 H       1.11671  1    110.77241  1     68.81683  1    99  91  87    0.06700
 H       1.11665  1    110.23848  1    188.82562  1    99  91  87    0.07750
 H       1.11765  1    110.20908  1    308.44999  1    99  91  87    0.06130
 H       1.12773  1    108.04558  1     70.17149  1    91  87  86    0.10950
 H       1.12945  1    107.49944  1    270.85976  1    87  86   3    0.10540
 H       1.00363  1     38.26776  1    193.10354  1    86   3   2    0.16120
 H       1.00350  1     72.57605  1     33.74152  1    86   3   2    0.16350
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32300
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06580
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28240
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43380
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28550
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04360
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18170
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29180
 H       1.11135  1    114.76126  1    138.81918  1   113 112 111    0.09770
 C       1.54152  1    106.77458  1    183.48498  1   112 111 109   -0.15320
 C       1.52714  1    106.38248  1      6.56512  1   116 112 111   -0.17590
 C       1.53770  1    106.96158  1    350.50238  1   117 116 112   -0.01270
 H       1.12585  1    111.25853  1    129.10452  1   118 117 116    0.09960
 H       1.12648  1    110.29498  1    249.95119  1   118 117 116    0.09570
 H       1.11860  1    110.56342  1    110.75309  1   117 116 112    0.11710
 H       1.12008  1    110.54219  1    230.93556  1   117 116 112    0.12460
 H       1.11807  1    110.97599  1    127.12471  1   116 112 111    0.10690
 H       1.11833  1    109.71897  1    247.16752  1   116 112 111    0.10800
 H       1.12539  1    108.82295  1     62.92706  1   112 111 109    0.11270
 C       1.54175  1    112.18961  1     93.51756  1   108 107   3   -0.11250
 C       1.48745  1    111.22458  1    225.80449  1   126 108 107   -0.09680
 C       1.40048  1    119.72349  1     76.73198  1   127 126 108   -0.11960
 C       1.39256  1    120.21772  1    179.60178  1   128 127 126   -0.14430
 C       1.39561  1    120.10002  1      0.00000  1   129 128 127   -0.12980
 C       1.39434  1    119.86545  1      0.10096  1   130 129 128   -0.13050
 C       1.39440  1    120.19185  1      0.00000  1   131 130 129   -0.11490
 H       1.10123  1    119.87423  1    179.30349  1   132 131 130    0.14490
 H       1.10282  1    119.90679  1    180.14450  1   131 130 129    0.14240
 H       1.10112  1    120.01726  1    179.93747  1   130 129 128    0.13770
 H       1.09976  1    120.03139  1    179.62204  1   129 128 127    0.12680
 H       1.10008  1    119.59791  1    359.18849  1   128 127 126    0.13250
 H       1.12403  1    109.98995  1    346.09959  1   126 108 107    0.10020
 H       1.12244  1    109.30039  1    103.41491  1   126 108 107    0.10090
 H       1.13017  1    106.55781  1    334.43293  1   108 107   3    0.12960
 H       1.00375  1    133.54833  1    241.75439  1   107   3   2    0.14640
 H       1.00204  1    105.00892  1    107.01131  1   107   3   2    0.14170
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35270
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04180
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26720
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41260
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34830
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04260
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20310
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35620
 H       1.11349  1    117.08490  1     10.97131  1   149 148 147    0.09870
 C       1.54514  1    112.54087  1    123.37160  1   148 147 145   -0.22010
 C       1.53181  1    114.61371  1    337.01754  1   152 148 147    0.31740
 O       1.26443  1    119.40582  1    251.29092  1   153 152 148   -0.56810
 O       1.26961  1    118.28606  1     71.71351  1   153 152 148   -0.59560
 H       1.12104  1    109.33177  1     97.09106  1   152 148 147    0.07830
 H       1.11790  1    107.94442  1    214.67202  1   152 148 147    0.08840
 H       1.13450  1    109.03081  1      3.43707  1   148 147 145    0.14900
 H       1.00323  1    122.34247  1    337.58831  1   147 145 144    0.27680
 C       1.52934  1    115.27098  1    283.59808  1   144 143   3   -0.13150
 C       1.50481  1    113.04550  1     91.83576  1   160 144 143   -0.21580
 C       1.51380  1    112.89572  1    175.02770  1   161 160 144    0.30980
 O       1.25548  1    123.22477  1     12.10281  1   162 161 160   -0.44790
 N       1.36608  1    115.41151  1    192.14531  1   162 161 160   -0.42390
 H       0.98669  1    120.29794  1    184.17628  1   164 162 161    0.20670
 H       1.00376  1    119.91969  1    359.28065  1   164 162 161    0.28270
 H       1.12702  1    110.95337  1    296.25346  1   161 160 144    0.14380
 H       1.12789  1    110.60237  1     54.51966  1   161 160 144    0.13620
 H       1.12313  1    107.70169  1    212.50578  1   160 144 143    0.09440
 H       1.12192  1    110.14188  1    328.63075  1   160 144 143    0.10350
 H       1.13503  1    105.05682  1    166.42000  1   144 143   3    0.10790
 H       1.00261  1     45.23885  1     75.67600  1   143   3   2    0.14300
 H       1.00171  1     94.49096  1    323.70083  1   143   3   2    0.15320
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33440
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10040
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19390
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33190
 H       1.10950  1    117.89121  1    326.11288  1   176 175 174    0.10390
 C       1.54202  1    116.54991  1     73.84073  1   175 174   3   -0.14180
 C       1.48520  1    111.84248  1    278.84248  1   179 175 174   -0.09340
 C       1.39924  1    120.18692  1     78.48865  1   180 179 175   -0.13870
 C       1.39298  1    120.57493  1    177.50079  1   181 180 179   -0.12010
 C       1.39328  1    119.81207  1    359.89769  1   182 181 180   -0.13930
 C       1.39534  1    120.07554  1      0.44565  1   183 182 181   -0.15830
 C       1.39391  1    120.11055  1    359.72269  1   184 183 182   -0.13740
 H       1.10057  1    119.96211  1    181.41616  1   185 184 183    0.12670
 H       1.10260  1    119.62748  1    181.11908  1   184 183 182    0.14230
 H       1.10222  1    119.47855  1    181.77287  1   183 182 181    0.15090
 H       1.10303  1    119.83816  1    181.06592  1   182 181 180    0.16080
 H       1.10146  1    120.08465  1    358.41764  1   181 180 179    0.16280
 H       1.12368  1    109.75720  1     40.31091  1   179 175 174    0.10370
 H       1.12362  1    108.74708  1    157.67826  1   179 175 174    0.09740
 H       1.13456  1    106.75116  1    313.10912  1   175 174   3    0.12500
 H       1.00392  1     46.62619  1    177.00283  1   174   3   2    0.17110
 H       1.00401  1    130.29746  1    101.86939  1   174   3   2    0.15510
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33370
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10380
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20060
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30750
 H       1.10726  1    118.09970  1    318.77560  1   198 197 196    0.11900
 C       1.53567  1    115.44894  1     12.64125  1   197 196   3   -0.16600
 C       1.48820  1    113.99985  1    301.18741  1   201 197 196   -0.07180
 C       1.39918  1    122.52334  1    329.26897  1   202 201 197   -0.15100
 C       1.39475  1    120.45181  1    180.78167  1   203 202 201   -0.12340
 C       1.39452  1    120.30332  1      0.39405  1   204 203 202   -0.12960
 C       1.39493  1    119.58674  1      0.10078  1   205 204 203   -0.12310
 C       1.39324  1    120.19488  1    359.56361  1   206 205 204   -0.13040
 H       1.10313  1    119.51773  1    180.02887  1   207 206 205    0.14130
 H       1.10246  1    119.94840  1    179.72373  1   206 205 204    0.15130
 H       1.10060  1    120.62215  1    180.44299  1   205 204 203    0.13550
 H       1.09960  1    119.72307  1    180.76494  1   204 203 202    0.12380
 H       1.09985  1    120.47617  1      0.83707  1   203 202 201    0.12840
 H       1.12655  1    108.74991  1     63.47721  1   201 197 196    0.11320
 H       1.12432  1    108.30004  1    180.10007  1   201 197 196    0.09900
 H       1.13147  1    106.63850  1    251.74515  1   197 196   3    0.11660
 H       1.00333  1     70.78798  1    189.79826  1   196   3   2    0.15690
 H       1.00451  1     89.70034  1     80.03760  1   196   3   2    0.15320
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32610
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11580
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19750
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28670
 H       1.10907  1    117.25788  1    312.22500  1   220 219 218    0.09770
 C       1.54194  1    115.14666  1    326.98884  1   219 218   3   -0.13920
 C       1.48700  1    110.52508  1    220.46017  1   223 219 218   -0.11310
 C       1.40133  1    120.11910  1    284.99350  1   224 223 219   -0.11690
 C       1.39334  1    120.30558  1    179.49631  1   225 224 223   -0.11960
 C       1.39544  1    119.80180  1    359.36656  1   226 225 224   -0.12010
 C       1.39396  1    120.13619  1      0.03301  1   227 226 225   -0.13830
 C       1.39397  1    120.15249  1      0.74978  1   228 227 226   -0.14570
 H       1.09984  1    119.83675  1    180.04401  1   229 228 227    0.12560
 H       1.10238  1    119.35284  1    181.92301  1   228 227 226    0.13910
 H       1.10475  1    120.19199  1    179.54386  1   227 226 225    0.16410
 H       1.10329  1    120.42770  1    179.24093  1   226 225 224    0.16080
 H       1.10150  1    119.64685  1      0.68853  1   225 224 223    0.13980
 H       1.12299  1    110.10659  1    341.61723  1   223 219 218    0.08610
 H       1.12286  1    109.98338  1     99.07860  1   223 219 218    0.09330
 H       1.13446  1    106.03167  1    206.83985  1   219 218   3    0.14250
 H       1.00129  1    110.22517  1     53.20146  1   218   3   2    0.15030
 H       1.00143  1     90.64226  1    303.05847  1   218   3   2    0.13160
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32110
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11420
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21430
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31090
 H       1.10982  1    117.37439  1    309.42467  1   242 241 240    0.10250
 C       1.54626  1    114.45541  1    308.19597  1   241 240   3   -0.13150
 C       1.51434  1    110.52793  1    180.90036  1   245 241 240   -0.22160
 H       1.11813  1    110.80827  1     64.66648  1   246 245 241    0.11200
 H       1.11896  1    109.98179  1    184.97174  1   246 245 241    0.07380
 H       1.11813  1    110.91060  1    304.37201  1   246 245 241    0.08200
 C       1.51497  1    110.35550  1    302.50265  1   245 241 240   -0.22520
 H       1.11726  1    111.34458  1     70.12788  1   250 245 241    0.05040
 H       1.11793  1    110.04924  1    189.65435  1   250 245 241    0.08440
 H       1.11745  1    110.52761  1    309.12693  1   250 245 241    0.09490
 H       1.12924  1    108.39775  1     61.60925  1   245 241 240    0.09560
 H       1.13344  1    106.66362  1    189.17425  1   241 240   3    0.13990
 H       1.00188  1    121.64839  1     11.43834  1   240   3   2    0.14040
 H       1.00387  1     51.24845  1    282.50375  1   240   3   2    0.13600
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33430
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09910
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19540
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32820
 H       1.11278  1    116.41361  1     29.25266  1   260 259 258    0.09920
 C       1.53177  1    114.35692  1    323.18346  1   259 258   3   -0.20100
 C       1.52298  1    111.73616  1    280.90411  1   263 259 258   -0.10470
 C       1.51497  1    111.01986  1    154.63610  1   264 263 259   -0.21570
 H       1.11664  1    110.57433  1     63.95629  1   265 264 263    0.07050
 H       1.12108  1    109.52327  1    184.26158  1   265 264 263    0.11640
 H       1.11761  1    110.50744  1    303.56410  1   265 264 263    0.06340
 C       1.51564  1    111.01091  1    277.20664  1   264 263 259   -0.22330
 H       1.11648  1    110.67951  1     65.88853  1   269 264 263    0.05570
 H       1.11781  1    109.97556  1    186.07396  1   269 264 263    0.10120
 H       1.11883  1    110.81539  1    305.52808  1   269 264 263    0.08890
 H       1.12779  1    108.91007  1     36.71084  1   264 263 259    0.08360
 H       1.12377  1    109.75249  1     42.99860  1   263 259 258    0.09400
 H       1.12146  1    108.93222  1    160.19849  1   263 259 258    0.10940
 H       1.13647  1    106.67458  1    204.23277  1   259 258   3    0.12170
 H       1.00297  1    104.28362  1    292.57902  1   258   3   2    0.15680
 H       1.00370  1     29.36002  1    192.53793  1   258   3   2    0.15150
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33290
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04030
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27640
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40570
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31420
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05180
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18520
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27940
 H       1.11042  1    117.53248  1    334.57341  1   285 284 283    0.09740
 C       1.54141  1    107.57199  1    177.26164  1   284 283 281   -0.15980
 C       1.52405  1    106.42208  1      2.04769  1   288 284 283   -0.17420
 C       1.53787  1    106.70929  1      1.15038  1   289 288 284   -0.02390
 H       1.12628  1    108.70981  1    115.68506  1   290 289 288    0.06770
 H       1.12437  1    110.93953  1    235.17895  1   290 289 288    0.10400
 H       1.11784  1    110.96508  1    121.22324  1   289 288 284    0.08770
 H       1.11933  1    111.05909  1    241.17820  1   289 288 284    0.10780
 H       1.11824  1    110.87367  1    123.21609  1   288 284 283    0.09450
 H       1.12082  1    109.68612  1    242.14434  1   288 284 283    0.11780
 H       1.13293  1    108.93248  1     57.51871  1   284 283 281    0.15170
 C       1.53521  1    113.59306  1    341.17012  1   280 279   3   -0.08870
 C       1.47048  1    112.46790  1    310.89115  1   298 280 279   -0.14300
 C       1.39531  1    125.32809  1    119.17366  1   299 298 280   -0.08390
 N       1.39964  1    110.47946  1    182.26782  1   300 299 298   -0.21020
 C       1.40045  1    107.97364  1    356.51809  1   301 300 299   -0.00130
 C       1.44812  1    108.26980  1      3.08044  1   302 301 300   -0.04990
 C       1.39483  1    119.19107  1    178.49828  1   303 302 301   -0.06260
 C       1.39018  1    118.92328  1    359.69565  1   304 303 302   -0.16710
 C       1.40386  1    121.44399  1      0.19403  1   305 304 303   -0.12090
 C       1.38752  1    121.49730  1      0.21320  1   306 305 304   -0.16260
 H       1.09721  1    121.19992  1    179.46466  1   307 306 305    0.11960
 H       1.09968  1    119.10834  1    179.61018  1   306 305 304    0.11470
 H       1.09953  1    119.41135  1    179.50196  1   305 304 303    0.12650
 H       1.10107  1    120.49110  1    178.56977  1   304 303 302    0.15050
 H       0.98568  1    123.96815  1    197.96229  1   301 300 299    0.24040
 H       1.09642  1    129.49493  1      1.94556  1   300 299 298    0.18780
 H       1.12337  1    110.21809  1     73.39140  1   298 280 279    0.08390
 H       1.12553  1    107.51236  1    190.22182  1   298 280 279    0.12510
 H       1.13622  1    104.99307  1    224.22083  1   280 279   3    0.14350
 H       1.00035  1     52.07659  1    226.67849  1   279   3   2    0.14450
 H       0.99966  1    141.80964  1    154.06375  1   279   3   2    0.13930
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34140
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09410
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20670
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30620
 H       1.10833  1    116.32187  1    134.70440  1   321 320 319    0.09200
 C       1.54676  1    116.55528  1     50.95963  1   320 319   3   -0.13900
 C       1.52289  1    110.40471  1    296.04633  1   324 320 319   -0.16250
 C       1.50747  1    112.51120  1    169.16576  1   325 324 320   -0.21530
 H       1.11709  1    111.26391  1     64.56014  1   326 325 324    0.07960
 H       1.11891  1    110.00253  1    184.14446  1   326 325 324    0.08560
 H       1.11738  1    110.79416  1    303.90527  1   326 325 324    0.06870
 H       1.12401  1    109.24755  1    291.10000  1   325 324 320    0.09080
 H       1.12416  1    109.97893  1     48.63264  1   325 324 320    0.07890
 C       1.51511  1    109.41076  1    173.98066  1   324 320 319   -0.22130
 H       1.11777  1    110.65623  1     56.21365  1   332 324 320    0.08010
 H       1.11697  1    110.28406  1    175.92096  1   332 324 320    0.08790
 H       1.11742  1    110.72676  1    295.36268  1   332 324 320    0.07030
 H       1.12621  1    108.46719  1     55.16443  1   324 320 319    0.10710
 H       1.13356  1    105.94394  1    292.15392  1   320 319   3    0.10820
 H       1.00348  1     18.70138  1    319.62522  1   319   3   2    0.16490
 H       1.00323  1    108.51912  1    225.09131  1   319   3   2    0.15780
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35170
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04710
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27120
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42600
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36030
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02490
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18840
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.32080
 H       1.11415  1    115.58816  1    318.97796  1   346 345 344    0.11900
 C       1.54159  1    110.07334  1    159.47707  1   345 344 342   -0.17400
 C       1.52017  1    113.50077  1    182.52712  1   349 345 344   -0.10400
 C       1.51422  1    111.30691  1     75.68219  1   350 349 345   -0.20740
 H       1.11687  1    110.64737  1     59.39824  1   351 350 349    0.07850
 H       1.11656  1    110.19017  1    179.28555  1   351 350 349    0.06180
 H       1.11669  1    110.44701  1    299.13540  1   351 350 349    0.07680
 C       1.51619  1    109.68323  1    197.88707  1   350 349 345   -0.21830
 H       1.11779  1    110.76906  1     56.40718  1   355 350 349    0.06940
 H       1.11739  1    109.96231  1    176.03938  1   355 350 349    0.06250
 H       1.11750  1    110.81018  1    296.15691  1   355 350 349    0.09930
 H       1.12771  1    109.03567  1    316.25763  1   350 349 345    0.09010
 H       1.12266  1    109.02359  1    304.06105  1   349 345 344    0.09890
 H       1.12387  1    108.72061  1     60.62540  1   349 345 344    0.09400
 H       1.13192  1    108.05415  1     40.03327  1   345 344 342    0.11400
 H       1.00484  1    122.45716  1     10.86864  1   344 342 341    0.29660
 C       1.52223  1    114.19147  1    321.60472  1   341 340   3   -0.21750
 H       1.12005  1    111.33029  1     52.76114  1   364 341 340    0.11330
 H       1.11643  1    109.47095  1    173.56392  1   364 341 340    0.07140
 H       1.11681  1    110.00619  1    292.99270  1   364 341 340    0.08350
 H       1.13249  1    106.28545  1    202.06897  1   341 340   3    0.09890
 H       1.00690  1     41.03098  1     98.45909  1   340   3   2    0.18320
 H       1.00263  1    114.62350  1      9.64031  1   340   3   2    0.15200
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34810
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06750
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27560
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38680
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37060
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03670
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18790
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31630
 H       1.11346  1    115.20207  1     61.72797  1   377 376 375    0.10170
 C       1.53731  1    112.71223  1    149.37141  1   376 375 373   -0.12580
 C       1.48638  1    112.97634  1    307.83717  1   380 376 375   -0.09080
 C       1.39984  1    120.66270  1    290.00181  1   381 380 376   -0.11740
 C       1.39463  1    120.47774  1    179.14157  1   382 381 380   -0.12120
 C       1.39543  1    119.77633  1      0.80320  1   383 382 381   -0.13040
 C       1.39446  1    120.18658  1    359.35899  1   384 383 382   -0.13920
 C       1.39421  1    119.94830  1    359.95222  1   385 384 383   -0.14030
 H       1.10042  1    119.84267  1    181.57547  1   386 385 384    0.12090
 H       1.10270  1    120.25662  1    181.42479  1   385 384 383    0.13520
 H       1.10004  1    119.68216  1    180.61813  1   384 383 382    0.12320
 H       1.10898  1    119.72215  1    182.77649  1   383 382 381    0.18640
 H       1.10062  1    119.89748  1      0.82334  1   382 381 380    0.13620
 H       1.12343  1    108.95805  1     71.03894  1   380 376 375    0.09930
 H       1.12262  1    107.20729  1    186.75626  1   380 376 375    0.09330
 H       1.13559  1    107.68407  1     29.32792  1   376 375 373    0.13910
 H       0.99650  1    121.43176  1    354.91459  1   375 373 372    0.24510
 C       1.54250  1    111.09753  1    314.68953  1   372 371   3   -0.08580
 C       1.47108  1    111.41005  1    190.15955  1   396 372 371   -0.12420
 N       1.39820  1    124.55610  1     68.61756  1   397 396 372   -0.18490
 C       1.39504  1    106.63009  1    182.14644  1   398 397 396   -0.09820
 N       1.35395  1    111.41311  1    358.13328  1   399 398 397   -0.17290
 C       1.38827  1    105.98703  1      1.18990  1   400 399 398   -0.19300
 H       1.09014  1    121.71997  1    179.61873  1   401 400 399    0.17480
 H       1.09626  1    123.34370  1    178.58260  1   399 398 397    0.20510
 H       0.99742  1    124.62597  1    351.13291  1   398 397 396    0.29310
 H       1.12681  1    108.34756  1    311.47269  1   396 372 371    0.11650
 H       1.12261  1    110.73538  1     69.46479  1   396 372 371    0.08980
 H       1.14190  1    107.42752  1    196.98547  1   372 371   3    0.19910
 H       0.99946  1     77.04955  1    174.93038  1   371   3   2    0.15320
 H       0.99833  1    136.09249  1     69.15391  1   371   3   2    0.14990
 H       4.54659  1     99.91514  1    342.15372  1     3   2   1    0.21070
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44220
 H       0.96632  1    103.67936  1    320.67432  1   411 410   3    0.22500

